3-methylcyclopentadec-1-en-8-yne

C16H26 — CID 123715126

IUPAC3-methylcyclopentadec-1-en-8-yne
SMILESCC1C=CCCCCCCC#CCCCC1
InChIInChI=1S/C16H26/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h12,14,16H,2-4,6,8-11,13,15H2,1H3
InChIKeyDDEBPADBPVNYOC-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.10
Rot. Bonds

About 3-methylcyclopentadec-1-en-8-yne

3-methylcyclopentadec-1-en-8-yne (PubChem CID 123715126) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 3-methylcyclopentadec-1-en-8-yne.

Molecular Properties

Compound Name3-methylcyclopentadec-1-en-8-yne
PubChem CID123715126
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name3-methylcyclopentadec-1-en-8-yne
SMILESCC1C=CCCCCCCC#CCCCC1
InChIInChI=1S/C16H26/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h12,14,16H,2-4,6,8-11,13,15H2,1H3
InChIKeyDDEBPADBPVNYOC-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-3-methylcyclooctene
CID 5352586
(1E)-3-methylcyclodecene
CID 5352563
3-methylcycloundecene
CID 54531806
(1Z)-3-methylcyclodecene
CID 6430931
(1Z)-3-methylcyclopentadecene
CID 140520640
ethane;3-methylcyclohexene
CID 145337562
ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
CID 143054449
cyclododec-1-en-7-yne
CID 135063116
cycloundec-1-en-5-yne
CID 90875590
(3S)-3-methylcyclopentene
CID 11018803
methanol;3-methylcyclohexene;propan-2-ol
CID 142978987
(3R)-3-methylcyclohexene;pyrrolidine
CID 143477077

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentadec-1-en-8-yne?
The IUPAC name of 3-methylcyclopentadec-1-en-8-yne (CID 123715126) is 3-methylcyclopentadec-1-en-8-yne.
What is the SMILES notation for 3-methylcyclopentadec-1-en-8-yne?
The canonical SMILES for 3-methylcyclopentadec-1-en-8-yne is CC1C=CCCCCCCC#CCCCC1.
What is the InChIKey of 3-methylcyclopentadec-1-en-8-yne?
The InChIKey is DDEBPADBPVNYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h12,14,16H,2-4,6,8-11,13,15H2,1H3.
What are the key properties of 3-methylcyclopentadec-1-en-8-yne?
3-methylcyclopentadec-1-en-8-yne has a molecular weight of 218.38 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentadec-1-en-8-yne is sourced from PubChem (CID 123715126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).